SCHEMBL29324352

SCHEMBL29324352

CC1CC=C(c2ccc(OC3CCCC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
PDE4A P27815 8/20 0.32
PDE4B Q07343 7/20 0.32
PDE4C Q08493 7/20 0.32
PDE4D Q08499 7/20 0.32
CSNK2A1 P68400 2/20 0.32
CARM1 Q86X55 2/20 0.31
PRMT1 Q99873 2/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
RECQL P46063 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29324661 0.87 CARM1 (0.33) NPY1RNPY2RCARM1PRMT1
SCHEMBL29324358 0.84 NPY1R (0.34) NPY1RNPY2RPDE4APDE4BPDE4C
SCHEMBL170384 0.83 CCNT1 (0.34)
SCHEMBL170373 0.83 SLC6A4 (0.34) SLC6A4
SCHEMBL18900959 0.83 SLC6A4 (0.34) SLC6A4
SCHEMBL29324369 0.82 NPY1R (0.35) NPY1RNPY2RPDE4APDE4BPDE4C
SCHEMBL25800497 0.81 KDM1A (0.33)
SCHEMBL26802163 0.81 SLC6A4 (0.34) SLC6A4
SCHEMBL29324383 0.80 NPY1R (0.32) NPY1RNPY2RCSNK2A1
SCHEMBL13000413 0.79 CCNT1 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed